6-methoxy-2-(3-methoxyphenyl)chromen-4-one

C17H14O4 — CID 676293

IUPAC6-methoxy-2-(3-methoxyphenyl)chromen-4-one
SMILESCOc1cccc(-c2cc(=O)c3cc(OC)ccc3o2)c1
InChIInChI=1S/C17H14O4/c1-19-12-5-3-4-11(8-12)17-10-15(18)14-9-13(20-2)6-7-16(14)21-17/h3-10H,1-2H3
InChIKeyLLLIKVGWTVPYAL-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.48
Rot. Bonds3

About 6-methoxy-2-(3-methoxyphenyl)chromen-4-one

6-methoxy-2-(3-methoxyphenyl)chromen-4-one (PubChem CID 676293) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-methoxy-2-(3-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6-methoxy-2-(3-methoxyphenyl)chromen-4-one
PubChem CID676293
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name6-methoxy-2-(3-methoxyphenyl)chromen-4-one
SMILESCOc1cccc(-c2cc(=O)c3cc(OC)ccc3o2)c1
InChIInChI=1S/C17H14O4/c1-19-12-5-3-4-11(8-12)17-10-15(18)14-9-13(20-2)6-7-16(14)21-17/h3-10H,1-2H3
InChIKeyLLLIKVGWTVPYAL-UHFFFAOYSA-N
XLogP3.48
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3-methoxyphenyl)chromen-4-one?
The IUPAC name of 6-methoxy-2-(3-methoxyphenyl)chromen-4-one (CID 676293) is 6-methoxy-2-(3-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 6-methoxy-2-(3-methoxyphenyl)chromen-4-one?
The canonical SMILES for 6-methoxy-2-(3-methoxyphenyl)chromen-4-one is COc1cccc(-c2cc(=O)c3cc(OC)ccc3o2)c1.
What is the InChIKey of 6-methoxy-2-(3-methoxyphenyl)chromen-4-one?
The InChIKey is LLLIKVGWTVPYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-19-12-5-3-4-11(8-12)17-10-15(18)14-9-13(20-2)6-7-16(14)21-17/h3-10H,1-2H3.
What are the key properties of 6-methoxy-2-(3-methoxyphenyl)chromen-4-one?
6-methoxy-2-(3-methoxyphenyl)chromen-4-one has a molecular weight of 282.30 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 676293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).